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Estimation of the applicability domain of kernel-based machine learning models for virtual screening
<p>Abstract</p> <p>Background</p> <p>The virtual screening of large compound databases is an important application of structural-activity relationship models. Due to the high structural diversity of these data sets, it is impossible for machine learning based QSAR model...
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| Hoofdauteurs: | , , , |
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| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
BMC
2010-03-01
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| Reeks: | Journal of Cheminformatics |
| Online toegang: | http://www.jcheminf.com/content/2/1/2 |
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